CID 130068090

7-oxaspiro[3.5]nonane-2-carbaldehyde

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1COCCC12CC(C2)C=O

InChI

InChI=1S/C9H14O2/c10-7-8-5-9(6-8)1-3-11-4-2-9/h7-8H,1-6H2

InChIKey

AFDTVOKUDRHWIQ-UHFFFAOYSA-N

Compound name

7-oxaspiro[3.5]nonane-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 154.09938 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.10666	125.2
[M+Na]+	177.08860	130.0
[M-H]-	153.09210	131.1
[M+NH4]+	172.13320	140.7
[M+K]+	193.06254	133.2
[M+H-H2O]+	137.09664	115.9
[M+HCOO]-	199.09758	143.7
[M+CH3COO]-	213.11323	177.2
[M+Na-2H]-	175.07405	133.3
[M]+	154.09883	130.6
[M]-	154.09993	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe